10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-] |
|---|---|
| IUPAC Name | benzyl-dodecyl-dimethylazanium;chloride;dihydrate |
| InChIKey | ORJHCWPHEPKXRE-UHFFFAOYSA-M |
| INCHI | 1S/C21H38N.ClH.2H2O/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;;;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H;2*1H2/q+1;;;/p-1 |
| Isómeros SMILES | CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.O.O.[Cl-] |
| RTECS | BO6821500 |
| CAS alternativo | 139-07-1 |
| Número ONU | 1759 |
| Grupo de embalaje | III |
| Peso molecular | 376.02 |
| Reaxy-Rn | 38211071 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38211071&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Alkyldimethylbenzylammonium halides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alkyldimethylbenzylammonium chlorides |
| Alternative Parents | Phenylmethylamines Benzylamines Aralkylamines Tetraalkylammonium salts Organic oxides Organic chloride salts Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyldimethylbenzylammonium chloride - Benzylamine - Phenylmethylamine - Aralkylamine - Quaternary ammonium salt - Tetraalkylammonium salt - Hydrocarbon derivative - Organic oxide - Organic chloride salt - Amine - Organic salt - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain. |
| External Descriptors | Not available |
| Sensibilidad | Hygroscopic |
|---|---|
| Punto de fusión (°C) | 44 °C |
| Peso molecular | 376.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 13 |
| Exact Mass | 375.29 Da |
| Monoisotopic Mass | 375.29 Da |
| Topological Polar Surface Area | 2.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 4 |
